1-[rel-(3aR,7aS)-2-(3,5-difluorobenzene-1-sulfonyl)-7a-(ethoxymethyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]ethan-1-one
Chemical Structure Depiction of
1-[rel-(3aR,7aS)-2-(3,5-difluorobenzene-1-sulfonyl)-7a-(ethoxymethyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]ethan-1-one
1-[rel-(3aR,7aS)-2-(3,5-difluorobenzene-1-sulfonyl)-7a-(ethoxymethyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]ethan-1-one
Compound characteristics
| Compound ID: | S997-1576 |
| Compound Name: | 1-[rel-(3aR,7aS)-2-(3,5-difluorobenzene-1-sulfonyl)-7a-(ethoxymethyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]ethan-1-one |
| Molecular Weight: | 402.46 |
| Molecular Formula: | C18 H24 F2 N2 O4 S |
| Smiles: | CCOC[C@]12CCN(C[C@@H]2CN(C1)S(c1cc(cc(c1)F)F)(=O)=O)C(C)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.8238 |
| logD: | 1.8238 |
| logSw: | -2.183 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 57.291 |
| InChI Key: | PVIYGQNOFMKHSO-RDTXWAMCSA-N |